USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.597 USER MOD Set 2.2: A 77 SER OG : rot 116:sc= 0.134 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00475 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -169:sc= -2.29 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.385 K(o=-0.39,f=-9.5!) USER MOD Single : A 49 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.98) USER MOD Single : A 50 SER OG : rot 36:sc= 0.765 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 140:sc= -0.782 (180deg=-2.51!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.554 USER MOD Single : A 89 TYR OH : rot -145:sc= -0.129 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -5.95! C(o=-6!,f=-21!) USER MOD Single : A 98 MET CE :methyl -147:sc= -0.768 (180deg=-3.5!) USER MOD Single : A 102 SER OG : rot -166:sc= 0.412 USER MOD Single : A 105 SER OG : rot 90:sc= 0.867 USER MOD Single : A 108 SER OG : rot 110:sc= -0.625 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.337 -13.128 -2.452 1.00 0.00 N ATOM 170 CA LEU A 15 -19.012 -12.986 -1.858 1.00 0.00 C ATOM 171 C LEU A 15 -18.770 -11.551 -1.402 1.00 0.00 C ATOM 172 O LEU A 15 -19.663 -10.706 -1.479 1.00 0.00 O ATOM 173 CB LEU A 15 -17.934 -13.403 -2.860 1.00 0.00 C ATOM 174 CG LEU A 15 -17.638 -14.901 -2.944 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.053 -15.255 -4.302 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.692 -15.320 -1.827 1.00 0.00 C ATOM 0 HA LEU A 15 -18.961 -13.638 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.232 -13.056 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.010 -12.884 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.575 -15.445 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.849 -16.325 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.764 -14.991 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.126 -14.703 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.492 -16.389 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.756 -14.768 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.150 -15.103 -0.862 1.00 0.00 H new ATOM 188 N SER A 16 -17.558 -11.281 -0.929 1.00 0.00 N ATOM 189 CA SER A 16 -17.199 -9.948 -0.460 1.00 0.00 C ATOM 190 C SER A 16 -15.837 -9.529 -1.003 1.00 0.00 C ATOM 191 O SER A 16 -15.029 -10.354 -1.430 1.00 0.00 O ATOM 192 CB SER A 16 -17.183 -9.910 1.070 1.00 0.00 C ATOM 193 OG SER A 16 -16.813 -11.168 1.607 1.00 0.00 O ATOM 0 H SER A 16 -16.807 -11.968 -0.860 1.00 0.00 H new ATOM 0 HA SER A 16 -17.949 -9.247 -0.827 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.484 -9.146 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.169 -9.629 1.440 1.00 0.00 H new ATOM 0 HG SER A 16 -16.808 -11.117 2.586 1.00 0.00 H new ATOM 199 N PRO A 17 -15.574 -8.213 -0.989 1.00 0.00 N ATOM 200 CA PRO A 17 -14.311 -7.653 -1.477 1.00 0.00 C ATOM 201 C PRO A 17 -13.136 -7.996 -0.569 1.00 0.00 C ATOM 202 O PRO A 17 -13.304 -8.513 0.535 1.00 0.00 O ATOM 203 CB PRO A 17 -14.568 -6.144 -1.472 1.00 0.00 C ATOM 204 CG PRO A 17 -15.627 -5.943 -0.445 1.00 0.00 C ATOM 205 CD PRO A 17 -16.492 -7.172 -0.495 1.00 0.00 C ATOM 0 HA PRO A 17 -14.039 -8.050 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.664 -5.589 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.895 -5.795 -2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.190 -5.813 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.210 -5.047 -0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.893 -7.422 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.344 -7.038 -1.162 1.00 0.00 H new ATOM 213 N PRO A 18 -11.916 -7.703 -1.043 1.00 0.00 N ATOM 214 CA PRO A 18 -10.688 -7.973 -0.288 1.00 0.00 C ATOM 215 C PRO A 18 -10.542 -7.062 0.926 1.00 0.00 C ATOM 216 O PRO A 18 -11.055 -5.943 0.938 1.00 0.00 O ATOM 217 CB PRO A 18 -9.578 -7.690 -1.303 1.00 0.00 C ATOM 218 CG PRO A 18 -10.182 -6.729 -2.267 1.00 0.00 C ATOM 219 CD PRO A 18 -11.640 -7.086 -2.350 1.00 0.00 C ATOM 0 HA PRO A 18 -10.671 -8.987 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.698 -7.265 -0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.257 -8.604 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.051 -5.702 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.705 -6.805 -3.244 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.260 -6.205 -2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.838 -7.776 -3.170 1.00 0.00 H new ATOM 227 N GLU A 19 -9.841 -7.548 1.945 1.00 0.00 N ATOM 228 CA GLU A 19 -9.629 -6.777 3.164 1.00 0.00 C ATOM 229 C GLU A 19 -8.285 -6.055 3.125 1.00 0.00 C ATOM 230 O GLU A 19 -7.398 -6.414 2.351 1.00 0.00 O ATOM 231 CB GLU A 19 -9.696 -7.690 4.390 1.00 0.00 C ATOM 232 CG GLU A 19 -8.376 -8.368 4.715 1.00 0.00 C ATOM 233 CD GLU A 19 -8.420 -9.133 6.024 1.00 0.00 C ATOM 234 OE1 GLU A 19 -8.705 -8.508 7.067 1.00 0.00 O ATOM 235 OE2 GLU A 19 -8.168 -10.356 6.005 1.00 0.00 O ATOM 0 H GLU A 19 -9.410 -8.472 1.951 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.420 -6.030 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.016 -7.104 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.456 -8.453 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.115 -9.052 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.588 -7.616 4.764 1.00 0.00 H new ATOM 242 N ALA A 20 -8.142 -5.036 3.967 1.00 0.00 N ATOM 243 CA ALA A 20 -6.907 -4.266 4.030 1.00 0.00 C ATOM 244 C ALA A 20 -5.718 -5.160 4.368 1.00 0.00 C ATOM 245 O ALA A 20 -5.706 -5.859 5.381 1.00 0.00 O ATOM 246 CB ALA A 20 -7.035 -3.146 5.052 1.00 0.00 C ATOM 0 H ALA A 20 -8.866 -4.725 4.614 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.731 -3.828 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.105 -2.579 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.853 -2.484 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.239 -3.572 6.034 1.00 0.00 H new ATOM 252 N PRO A 21 -4.696 -5.139 3.500 1.00 0.00 N ATOM 253 CA PRO A 21 -3.484 -5.943 3.685 1.00 0.00 C ATOM 254 C PRO A 21 -2.633 -5.448 4.851 1.00 0.00 C ATOM 255 O PRO A 21 -2.835 -4.343 5.354 1.00 0.00 O ATOM 256 CB PRO A 21 -2.734 -5.764 2.362 1.00 0.00 C ATOM 257 CG PRO A 21 -3.212 -4.457 1.830 1.00 0.00 C ATOM 258 CD PRO A 21 -4.644 -4.329 2.272 1.00 0.00 C ATOM 0 HA PRO A 21 -3.716 -6.981 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.655 -5.758 2.516 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.953 -6.577 1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.609 -3.635 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.135 -4.426 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.914 -3.291 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.333 -4.703 1.515 1.00 0.00 H new ATOM 266 N ASP A 22 -1.683 -6.274 5.274 1.00 0.00 N ATOM 267 CA ASP A 22 -0.800 -5.919 6.380 1.00 0.00 C ATOM 268 C ASP A 22 -0.121 -4.578 6.125 1.00 0.00 C ATOM 269 O ASP A 22 -0.307 -3.967 5.072 1.00 0.00 O ATOM 270 CB ASP A 22 0.255 -7.008 6.587 1.00 0.00 C ATOM 271 CG ASP A 22 0.771 -7.050 8.013 1.00 0.00 C ATOM 272 OD1 ASP A 22 -0.060 -7.078 8.944 1.00 0.00 O ATOM 273 OD2 ASP A 22 2.006 -7.053 8.196 1.00 0.00 O ATOM 0 H ASP A 22 -1.504 -7.193 4.869 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.405 -5.833 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.172 -7.977 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.089 -6.836 5.907 1.00 0.00 H new ATOM 278 N ARG A 23 0.666 -4.125 7.096 1.00 0.00 N ATOM 279 CA ARG A 23 1.371 -2.854 6.977 1.00 0.00 C ATOM 280 C ARG A 23 2.631 -3.008 6.130 1.00 0.00 C ATOM 281 O ARG A 23 3.506 -3.825 6.419 1.00 0.00 O ATOM 282 CB ARG A 23 1.736 -2.319 8.362 1.00 0.00 C ATOM 283 CG ARG A 23 1.980 -0.818 8.391 1.00 0.00 C ATOM 284 CD ARG A 23 2.231 -0.321 9.805 1.00 0.00 C ATOM 285 NE ARG A 23 3.595 -0.593 10.247 1.00 0.00 N ATOM 286 CZ ARG A 23 4.013 -0.415 11.496 1.00 0.00 C ATOM 287 NH1 ARG A 23 3.175 0.031 12.421 1.00 0.00 N ATOM 288 NH2 ARG A 23 5.272 -0.685 11.820 1.00 0.00 N ATOM 0 H ARG A 23 0.831 -4.619 7.973 1.00 0.00 H new ATOM 0 HA ARG A 23 0.708 -2.143 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.934 -2.562 9.059 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.631 -2.831 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.836 -0.575 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.118 -0.300 7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.042 0.752 9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.527 -0.798 10.487 1.00 0.00 H new ATOM 0 HE ARG A 23 4.264 -0.939 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.207 0.238 12.175 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.498 0.167 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.919 -1.029 11.110 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.592 -0.548 12.779 1.00 0.00 H new ATOM 302 N PRO A 24 2.727 -2.206 5.060 1.00 0.00 N ATOM 303 CA PRO A 24 3.876 -2.235 4.150 1.00 0.00 C ATOM 304 C PRO A 24 5.143 -1.685 4.798 1.00 0.00 C ATOM 305 O PRO A 24 5.090 -0.746 5.592 1.00 0.00 O ATOM 306 CB PRO A 24 3.435 -1.336 2.993 1.00 0.00 C ATOM 307 CG PRO A 24 2.427 -0.415 3.592 1.00 0.00 C ATOM 308 CD PRO A 24 1.722 -1.209 4.656 1.00 0.00 C ATOM 0 HA PRO A 24 4.129 -3.251 3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.278 -0.784 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.004 -1.920 2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.907 0.466 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.724 -0.062 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.421 -0.580 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.818 -1.682 4.272 1.00 0.00 H new ATOM 316 N THR A 25 6.282 -2.277 4.453 1.00 0.00 N ATOM 317 CA THR A 25 7.562 -1.847 5.001 1.00 0.00 C ATOM 318 C THR A 25 8.245 -0.842 4.081 1.00 0.00 C ATOM 319 O THR A 25 7.860 -0.686 2.923 1.00 0.00 O ATOM 320 CB THR A 25 8.507 -3.043 5.228 1.00 0.00 C ATOM 321 OG1 THR A 25 9.669 -2.620 5.950 1.00 0.00 O ATOM 322 CG2 THR A 25 8.924 -3.661 3.902 1.00 0.00 C ATOM 0 H THR A 25 6.344 -3.055 3.797 1.00 0.00 H new ATOM 0 HA THR A 25 7.351 -1.373 5.960 1.00 0.00 H new ATOM 0 HB THR A 25 7.973 -3.795 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.263 -3.386 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.591 -4.503 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.039 -4.009 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.441 -2.914 3.299 1.00 0.00 H new ATOM 330 N ILE A 26 9.261 -0.164 4.604 1.00 0.00 N ATOM 331 CA ILE A 26 9.999 0.825 3.827 1.00 0.00 C ATOM 332 C ILE A 26 11.502 0.589 3.922 1.00 0.00 C ATOM 333 O ILE A 26 12.074 0.593 5.012 1.00 0.00 O ATOM 334 CB ILE A 26 9.685 2.258 4.297 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.219 2.369 4.724 1.00 0.00 C ATOM 336 CG2 ILE A 26 9.998 3.258 3.194 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.244 1.914 3.661 1.00 0.00 C ATOM 0 H ILE A 26 9.592 -0.281 5.562 1.00 0.00 H new ATOM 0 HA ILE A 26 9.681 0.713 2.790 1.00 0.00 H new ATOM 0 HB ILE A 26 10.313 2.488 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.065 1.775 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.002 3.405 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.771 4.266 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.054 3.193 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.393 3.032 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.225 2.020 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.370 2.524 2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.434 0.869 3.417 1.00 0.00 H new ATOM 349 N SER A 27 12.137 0.384 2.773 1.00 0.00 N ATOM 350 CA SER A 27 13.575 0.143 2.725 1.00 0.00 C ATOM 351 C SER A 27 14.268 1.169 1.832 1.00 0.00 C ATOM 352 O SER A 27 13.635 2.094 1.322 1.00 0.00 O ATOM 353 CB SER A 27 13.860 -1.270 2.215 1.00 0.00 C ATOM 354 OG SER A 27 13.828 -2.210 3.275 1.00 0.00 O ATOM 0 H SER A 27 11.678 0.380 1.862 1.00 0.00 H new ATOM 0 HA SER A 27 13.969 0.242 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.123 -1.543 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.836 -1.296 1.731 1.00 0.00 H new ATOM 0 HG SER A 27 14.011 -3.106 2.923 1.00 0.00 H new ATOM 360 N THR A 28 15.573 0.997 1.647 1.00 0.00 N ATOM 361 CA THR A 28 16.353 1.905 0.818 1.00 0.00 C ATOM 362 C THR A 28 16.584 1.321 -0.571 1.00 0.00 C ATOM 363 O THR A 28 17.491 0.514 -0.772 1.00 0.00 O ATOM 364 CB THR A 28 17.716 2.223 1.461 1.00 0.00 C ATOM 365 OG1 THR A 28 17.527 2.683 2.805 1.00 0.00 O ATOM 366 CG2 THR A 28 18.460 3.280 0.658 1.00 0.00 C ATOM 0 H THR A 28 16.112 0.236 2.061 1.00 0.00 H new ATOM 0 HA THR A 28 15.777 2.826 0.731 1.00 0.00 H new ATOM 0 HB THR A 28 18.312 1.310 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.398 2.882 3.208 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.420 3.488 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.627 2.916 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.867 4.194 0.622 1.00 0.00 H new ATOM 374 N ALA A 29 15.758 1.733 -1.527 1.00 0.00 N ATOM 375 CA ALA A 29 15.875 1.252 -2.898 1.00 0.00 C ATOM 376 C ALA A 29 16.636 2.248 -3.766 1.00 0.00 C ATOM 377 O ALA A 29 17.484 1.863 -4.571 1.00 0.00 O ATOM 378 CB ALA A 29 14.496 0.985 -3.483 1.00 0.00 C ATOM 0 H ALA A 29 15.000 2.399 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 29 16.438 0.319 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.598 0.626 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.986 0.231 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.914 1.907 -3.478 1.00 0.00 H new ATOM 384 N SER A 30 16.327 3.529 -3.598 1.00 0.00 N ATOM 385 CA SER A 30 16.981 4.581 -4.370 1.00 0.00 C ATOM 386 C SER A 30 16.888 5.921 -3.648 1.00 0.00 C ATOM 387 O SER A 30 16.386 6.002 -2.527 1.00 0.00 O ATOM 388 CB SER A 30 16.346 4.691 -5.758 1.00 0.00 C ATOM 389 OG SER A 30 17.286 5.154 -6.712 1.00 0.00 O ATOM 0 H SER A 30 15.628 3.865 -2.935 1.00 0.00 H new ATOM 0 HA SER A 30 18.034 4.319 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.961 3.718 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.496 5.372 -5.720 1.00 0.00 H new ATOM 0 HG SER A 30 16.857 5.214 -7.591 1.00 0.00 H new ATOM 395 N GLU A 31 17.379 6.972 -4.299 1.00 0.00 N ATOM 396 CA GLU A 31 17.352 8.310 -3.719 1.00 0.00 C ATOM 397 C GLU A 31 15.988 8.964 -3.920 1.00 0.00 C ATOM 398 O GLU A 31 15.621 9.894 -3.202 1.00 0.00 O ATOM 399 CB GLU A 31 18.446 9.181 -4.343 1.00 0.00 C ATOM 400 CG GLU A 31 18.099 10.660 -4.377 1.00 0.00 C ATOM 401 CD GLU A 31 19.172 11.495 -5.047 1.00 0.00 C ATOM 402 OE1 GLU A 31 19.290 11.426 -6.289 1.00 0.00 O ATOM 403 OE2 GLU A 31 19.894 12.219 -4.330 1.00 0.00 O ATOM 0 H GLU A 31 17.800 6.923 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 31 17.536 8.219 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.371 9.046 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.637 8.837 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.155 10.796 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.949 11.018 -3.358 1.00 0.00 H new ATOM 410 N THR A 32 15.241 8.472 -4.904 1.00 0.00 N ATOM 411 CA THR A 32 13.920 9.008 -5.201 1.00 0.00 C ATOM 412 C THR A 32 12.848 7.932 -5.072 1.00 0.00 C ATOM 413 O THR A 32 11.662 8.197 -5.270 1.00 0.00 O ATOM 414 CB THR A 32 13.863 9.605 -6.620 1.00 0.00 C ATOM 415 OG1 THR A 32 14.331 8.646 -7.575 1.00 0.00 O ATOM 416 CG2 THR A 32 14.704 10.870 -6.709 1.00 0.00 C ATOM 0 H THR A 32 15.530 7.703 -5.508 1.00 0.00 H new ATOM 0 HA THR A 32 13.728 9.797 -4.474 1.00 0.00 H new ATOM 0 HB THR A 32 12.827 9.860 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.290 9.033 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.648 11.274 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.326 11.609 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.741 10.635 -6.469 1.00 0.00 H new ATOM 424 N SER A 33 13.272 6.718 -4.737 1.00 0.00 N ATOM 425 CA SER A 33 12.347 5.600 -4.584 1.00 0.00 C ATOM 426 C SER A 33 12.664 4.803 -3.322 1.00 0.00 C ATOM 427 O SER A 33 13.666 5.050 -2.652 1.00 0.00 O ATOM 428 CB SER A 33 12.412 4.686 -5.809 1.00 0.00 C ATOM 429 OG SER A 33 13.688 4.082 -5.928 1.00 0.00 O ATOM 0 H SER A 33 14.250 6.483 -4.566 1.00 0.00 H new ATOM 0 HA SER A 33 11.338 6.003 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.647 3.914 -5.731 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.194 5.262 -6.708 1.00 0.00 H new ATOM 0 HG SER A 33 13.763 3.645 -6.802 1.00 0.00 H new ATOM 435 N VAL A 34 11.802 3.842 -3.005 1.00 0.00 N ATOM 436 CA VAL A 34 11.988 3.005 -1.826 1.00 0.00 C ATOM 437 C VAL A 34 11.295 1.658 -1.992 1.00 0.00 C ATOM 438 O VAL A 34 10.213 1.572 -2.573 1.00 0.00 O ATOM 439 CB VAL A 34 11.449 3.695 -0.559 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.204 4.988 -0.290 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.956 3.956 -0.689 1.00 0.00 C ATOM 0 H VAL A 34 10.967 3.624 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 34 13.061 2.846 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 34 11.606 3.029 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.808 5.460 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.262 4.769 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.083 5.663 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.592 4.444 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.773 4.601 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.432 3.010 -0.827 1.00 0.00 H new ATOM 451 N TYR A 35 11.927 0.608 -1.479 1.00 0.00 N ATOM 452 CA TYR A 35 11.372 -0.737 -1.572 1.00 0.00 C ATOM 453 C TYR A 35 10.247 -0.934 -0.560 1.00 0.00 C ATOM 454 O TYR A 35 10.453 -0.804 0.647 1.00 0.00 O ATOM 455 CB TYR A 35 12.468 -1.780 -1.343 1.00 0.00 C ATOM 456 CG TYR A 35 13.361 -1.993 -2.545 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.822 -2.273 -3.795 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.743 -1.915 -2.431 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.634 -2.471 -4.895 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.563 -2.108 -3.526 1.00 0.00 C ATOM 461 CZ TYR A 35 15.004 -2.387 -4.755 1.00 0.00 C ATOM 462 OH TYR A 35 15.815 -2.580 -5.850 1.00 0.00 O ATOM 0 H TYR A 35 12.823 0.662 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 35 10.961 -0.865 -2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.080 -1.471 -0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.004 -2.729 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.750 -2.337 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.185 -1.700 -1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.199 -2.690 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.636 -2.041 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 35 16.753 -2.486 -5.583 1.00 0.00 H new ATOM 472 N VAL A 36 9.058 -1.251 -1.062 1.00 0.00 N ATOM 473 CA VAL A 36 7.900 -1.468 -0.203 1.00 0.00 C ATOM 474 C VAL A 36 7.407 -2.908 -0.300 1.00 0.00 C ATOM 475 O VAL A 36 7.127 -3.409 -1.390 1.00 0.00 O ATOM 476 CB VAL A 36 6.744 -0.516 -0.567 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.536 -0.780 0.318 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.193 0.933 -0.453 1.00 0.00 C ATOM 0 H VAL A 36 8.871 -1.363 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 36 8.221 -1.264 0.819 1.00 0.00 H new ATOM 0 HB VAL A 36 6.454 -0.703 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.730 -0.098 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.203 -1.809 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.808 -0.622 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.365 1.592 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.511 1.136 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.026 1.110 -1.134 1.00 0.00 H new ATOM 488 N THR A 37 7.302 -3.570 0.848 1.00 0.00 N ATOM 489 CA THR A 37 6.842 -4.953 0.894 1.00 0.00 C ATOM 490 C THR A 37 5.670 -5.111 1.855 1.00 0.00 C ATOM 491 O THR A 37 5.783 -4.805 3.042 1.00 0.00 O ATOM 492 CB THR A 37 7.975 -5.906 1.321 1.00 0.00 C ATOM 493 OG1 THR A 37 9.090 -5.771 0.433 1.00 0.00 O ATOM 494 CG2 THR A 37 7.494 -7.349 1.324 1.00 0.00 C ATOM 0 H THR A 37 7.529 -3.171 1.759 1.00 0.00 H new ATOM 0 HA THR A 37 6.518 -5.213 -0.114 1.00 0.00 H new ATOM 0 HB THR A 37 8.283 -5.640 2.332 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.806 -6.379 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.310 -8.004 1.628 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.664 -7.454 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.162 -7.624 0.323 1.00 0.00 H new ATOM 502 N TRP A 38 4.546 -5.592 1.336 1.00 0.00 N ATOM 503 CA TRP A 38 3.352 -5.792 2.150 1.00 0.00 C ATOM 504 C TRP A 38 2.942 -7.260 2.162 1.00 0.00 C ATOM 505 O TRP A 38 3.487 -8.073 1.414 1.00 0.00 O ATOM 506 CB TRP A 38 2.202 -4.932 1.624 1.00 0.00 C ATOM 507 CG TRP A 38 1.734 -5.337 0.259 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.624 -6.074 -0.042 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.363 -5.029 -0.989 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.526 -6.243 -1.402 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.579 -5.611 -2.005 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.511 -4.316 -1.348 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.910 -5.502 -3.354 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.838 -4.210 -2.687 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.038 -4.799 -3.676 1.00 0.00 C ATOM 0 H TRP A 38 4.436 -5.851 0.356 1.00 0.00 H new ATOM 0 HA TRP A 38 3.583 -5.491 3.172 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.365 -4.992 2.320 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.520 -3.890 1.597 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.074 -6.466 0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.212 -6.756 -1.884 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.131 -3.856 -0.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.297 -5.957 -4.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.724 -3.665 -2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.318 -4.695 -4.714 1.00 0.00 H new ATOM 526 N ILE A 39 1.979 -7.594 3.015 1.00 0.00 N ATOM 527 CA ILE A 39 1.495 -8.964 3.123 1.00 0.00 C ATOM 528 C ILE A 39 -0.028 -9.010 3.146 1.00 0.00 C ATOM 529 O ILE A 39 -0.670 -8.645 4.132 1.00 0.00 O ATOM 530 CB ILE A 39 2.038 -9.655 4.388 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.554 -9.466 4.489 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.684 -11.135 4.377 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.330 -10.233 3.441 1.00 0.00 C ATOM 0 H ILE A 39 1.519 -6.934 3.641 1.00 0.00 H new ATOM 0 HA ILE A 39 1.858 -9.496 2.244 1.00 0.00 H new ATOM 0 HB ILE A 39 1.574 -9.196 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.787 -8.405 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.886 -9.781 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.075 -11.609 5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.600 -11.250 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.123 -11.608 3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.397 -10.052 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.127 -11.299 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.026 -9.902 2.448 1.00 0.00 H new ATOM 545 N PRO A 40 -0.624 -9.469 2.036 1.00 0.00 N ATOM 546 CA PRO A 40 -2.080 -9.575 1.905 1.00 0.00 C ATOM 547 C PRO A 40 -2.663 -10.672 2.789 1.00 0.00 C ATOM 548 O PRO A 40 -2.177 -11.803 2.793 1.00 0.00 O ATOM 549 CB PRO A 40 -2.280 -9.919 0.427 1.00 0.00 C ATOM 550 CG PRO A 40 -1.008 -10.577 0.016 1.00 0.00 C ATOM 551 CD PRO A 40 0.078 -9.921 0.822 1.00 0.00 C ATOM 0 HA PRO A 40 -2.584 -8.660 2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.133 -10.583 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.472 -9.024 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.043 -11.649 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.831 -10.451 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.881 -10.620 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.529 -9.087 0.285 1.00 0.00 H new ATOM 559 N ARG A 41 -3.707 -10.330 3.538 1.00 0.00 N ATOM 560 CA ARG A 41 -4.356 -11.286 4.427 1.00 0.00 C ATOM 561 C ARG A 41 -5.544 -11.951 3.738 1.00 0.00 C ATOM 562 O ARG A 41 -5.519 -13.147 3.451 1.00 0.00 O ATOM 563 CB ARG A 41 -4.819 -10.591 5.708 1.00 0.00 C ATOM 564 CG ARG A 41 -3.890 -9.478 6.167 1.00 0.00 C ATOM 565 CD ARG A 41 -2.458 -9.970 6.305 1.00 0.00 C ATOM 566 NE ARG A 41 -2.181 -10.477 7.647 1.00 0.00 N ATOM 567 CZ ARG A 41 -0.955 -10.621 8.140 1.00 0.00 C ATOM 568 NH1 ARG A 41 0.101 -10.298 7.404 1.00 0.00 N ATOM 569 NH2 ARG A 41 -0.784 -11.088 9.370 1.00 0.00 N ATOM 0 H ARG A 41 -4.121 -9.398 3.547 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.629 -12.057 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.815 -10.178 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.905 -11.332 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.926 -8.655 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.235 -9.086 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.273 -10.758 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.771 -9.155 6.076 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.972 -10.735 8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.027 -9.938 6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.041 -10.409 7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.594 -11.337 9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.157 -11.198 9.747 1.00 0.00 H new ATOM 583 N GLY A 42 -6.584 -11.165 3.475 1.00 0.00 N ATOM 584 CA GLY A 42 -7.767 -11.694 2.822 1.00 0.00 C ATOM 585 C GLY A 42 -7.930 -11.176 1.407 1.00 0.00 C ATOM 586 O GLY A 42 -7.330 -10.168 1.036 1.00 0.00 O ATOM 0 H GLY A 42 -6.628 -10.172 3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.711 -12.782 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.649 -11.430 3.406 1.00 0.00 H new ATOM 590 N ASN A 43 -8.742 -11.868 0.615 1.00 0.00 N ATOM 591 CA ASN A 43 -8.980 -11.472 -0.769 1.00 0.00 C ATOM 592 C ASN A 43 -10.473 -11.315 -1.041 1.00 0.00 C ATOM 593 O ASN A 43 -10.886 -11.067 -2.173 1.00 0.00 O ATOM 594 CB ASN A 43 -8.382 -12.505 -1.726 1.00 0.00 C ATOM 595 CG ASN A 43 -8.970 -13.888 -1.524 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.787 -14.103 -0.630 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.554 -14.834 -2.358 1.00 0.00 N ATOM 0 H ASN A 43 -9.246 -12.705 0.907 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.496 -10.510 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.554 -12.186 -2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.302 -12.548 -1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.914 -15.784 -2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.875 -14.610 -3.085 1.00 0.00 H new ATOM 604 N GLY A 44 -11.278 -11.460 0.007 1.00 0.00 N ATOM 605 CA GLY A 44 -12.717 -11.330 -0.139 1.00 0.00 C ATOM 606 C GLY A 44 -13.363 -12.600 -0.656 1.00 0.00 C ATOM 607 O GLY A 44 -14.573 -12.642 -0.877 1.00 0.00 O ATOM 0 H GLY A 44 -10.960 -11.665 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.155 -11.069 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.937 -10.510 -0.822 1.00 0.00 H new ATOM 611 N GLY A 45 -12.555 -13.637 -0.851 1.00 0.00 N ATOM 612 CA GLY A 45 -13.075 -14.899 -1.346 1.00 0.00 C ATOM 613 C GLY A 45 -12.640 -15.185 -2.771 1.00 0.00 C ATOM 614 O GLY A 45 -12.576 -16.342 -3.186 1.00 0.00 O ATOM 0 H GLY A 45 -11.550 -13.626 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.738 -15.707 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.164 -14.884 -1.297 1.00 0.00 H new ATOM 618 N PHE A 46 -12.345 -14.129 -3.522 1.00 0.00 N ATOM 619 CA PHE A 46 -11.918 -14.273 -4.908 1.00 0.00 C ATOM 620 C PHE A 46 -10.434 -13.953 -5.056 1.00 0.00 C ATOM 621 O PHE A 46 -9.820 -13.323 -4.194 1.00 0.00 O ATOM 622 CB PHE A 46 -12.741 -13.357 -5.815 1.00 0.00 C ATOM 623 CG PHE A 46 -13.971 -14.015 -6.375 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.901 -15.280 -6.934 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.195 -13.367 -6.342 1.00 0.00 C ATOM 626 CE1 PHE A 46 -15.031 -15.888 -7.451 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.327 -13.969 -6.857 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.245 -15.232 -7.411 1.00 0.00 C ATOM 0 H PHE A 46 -12.394 -13.165 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.080 -15.309 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -13.037 -12.472 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.114 -13.016 -6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.954 -15.798 -6.967 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.265 -12.380 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.963 -16.875 -7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.275 -13.453 -6.827 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.129 -15.705 -7.812 1.00 0.00 H new ATOM 638 N PRO A 47 -9.842 -14.398 -6.174 1.00 0.00 N ATOM 639 CA PRO A 47 -8.423 -14.173 -6.462 1.00 0.00 C ATOM 640 C PRO A 47 -8.119 -12.709 -6.767 1.00 0.00 C ATOM 641 O PRO A 47 -8.606 -12.158 -7.754 1.00 0.00 O ATOM 642 CB PRO A 47 -8.168 -15.039 -7.698 1.00 0.00 C ATOM 643 CG PRO A 47 -9.500 -15.161 -8.355 1.00 0.00 C ATOM 644 CD PRO A 47 -10.512 -15.157 -7.243 1.00 0.00 C ATOM 0 HA PRO A 47 -7.790 -14.425 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.439 -14.575 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.771 -16.016 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.673 -14.334 -9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.565 -16.079 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.444 -14.682 -7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.760 -16.169 -6.922 1.00 0.00 H new ATOM 652 N ILE A 48 -7.312 -12.087 -5.914 1.00 0.00 N ATOM 653 CA ILE A 48 -6.943 -10.689 -6.094 1.00 0.00 C ATOM 654 C ILE A 48 -6.531 -10.410 -7.536 1.00 0.00 C ATOM 655 O ILE A 48 -5.787 -11.183 -8.139 1.00 0.00 O ATOM 656 CB ILE A 48 -5.790 -10.285 -5.156 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.251 -10.331 -3.698 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.279 -8.898 -5.512 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.123 -10.167 -2.703 1.00 0.00 C ATOM 0 H ILE A 48 -6.901 -12.529 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.825 -10.097 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.973 -10.995 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.988 -9.545 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.752 -11.281 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.465 -8.627 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.917 -8.896 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.088 -8.175 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.523 -10.210 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.397 -10.968 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.636 -9.205 -2.861 1.00 0.00 H new ATOM 671 N GLN A 49 -7.019 -9.300 -8.081 1.00 0.00 N ATOM 672 CA GLN A 49 -6.700 -8.919 -9.452 1.00 0.00 C ATOM 673 C GLN A 49 -5.448 -8.050 -9.498 1.00 0.00 C ATOM 674 O GLN A 49 -4.534 -8.302 -10.284 1.00 0.00 O ATOM 675 CB GLN A 49 -7.877 -8.173 -10.083 1.00 0.00 C ATOM 676 CG GLN A 49 -9.082 -9.058 -10.357 1.00 0.00 C ATOM 677 CD GLN A 49 -10.060 -8.429 -11.330 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.951 -7.247 -11.659 1.00 0.00 O ATOM 679 NE2 GLN A 49 -11.021 -9.216 -11.797 1.00 0.00 N ATOM 0 H GLN A 49 -7.636 -8.650 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.509 -9.829 -10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.177 -7.360 -9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.549 -7.720 -11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.743 -10.014 -10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.594 -9.268 -9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.074 -10.190 -11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.707 -8.847 -12.456 1.00 0.00 H new ATOM 688 N SER A 50 -5.413 -7.024 -8.652 1.00 0.00 N ATOM 689 CA SER A 50 -4.275 -6.115 -8.600 1.00 0.00 C ATOM 690 C SER A 50 -4.264 -5.333 -7.291 1.00 0.00 C ATOM 691 O SER A 50 -5.286 -5.220 -6.613 1.00 0.00 O ATOM 692 CB SER A 50 -4.312 -5.148 -9.785 1.00 0.00 C ATOM 693 OG SER A 50 -3.642 -5.691 -10.908 1.00 0.00 O ATOM 0 H SER A 50 -6.160 -6.802 -7.994 1.00 0.00 H new ATOM 0 HA SER A 50 -3.364 -6.710 -8.655 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.347 -4.928 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.847 -4.204 -9.502 1.00 0.00 H new ATOM 0 HG SER A 50 -3.790 -6.659 -10.941 1.00 0.00 H new ATOM 699 N PHE A 51 -3.102 -4.794 -6.939 1.00 0.00 N ATOM 700 CA PHE A 51 -2.956 -4.024 -5.710 1.00 0.00 C ATOM 701 C PHE A 51 -2.798 -2.537 -6.016 1.00 0.00 C ATOM 702 O PHE A 51 -2.729 -2.135 -7.178 1.00 0.00 O ATOM 703 CB PHE A 51 -1.751 -4.523 -4.909 1.00 0.00 C ATOM 704 CG PHE A 51 -1.939 -5.899 -4.339 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.878 -6.131 -3.348 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.174 -6.961 -4.794 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.054 -7.397 -2.822 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.345 -8.230 -4.272 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.285 -8.447 -3.284 1.00 0.00 C ATOM 0 H PHE A 51 -2.247 -4.876 -7.488 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.859 -4.161 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.871 -4.522 -5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.551 -3.826 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.480 -5.313 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.436 -6.796 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.792 -7.565 -2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.744 -9.050 -4.636 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.419 -9.437 -2.873 1.00 0.00 H new ATOM 719 N ARG A 52 -2.740 -1.726 -4.965 1.00 0.00 N ATOM 720 CA ARG A 52 -2.590 -0.284 -5.121 1.00 0.00 C ATOM 721 C ARG A 52 -1.823 0.314 -3.945 1.00 0.00 C ATOM 722 O ARG A 52 -2.167 0.087 -2.785 1.00 0.00 O ATOM 723 CB ARG A 52 -3.963 0.382 -5.237 1.00 0.00 C ATOM 724 CG ARG A 52 -4.567 0.292 -6.630 1.00 0.00 C ATOM 725 CD ARG A 52 -5.810 1.159 -6.755 1.00 0.00 C ATOM 726 NE ARG A 52 -6.485 0.967 -8.035 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.651 1.524 -8.343 1.00 0.00 C ATOM 728 NH1 ARG A 52 -8.267 2.305 -7.467 1.00 0.00 N ATOM 729 NH2 ARG A 52 -8.202 1.301 -9.529 1.00 0.00 N ATOM 0 H ARG A 52 -2.795 -2.042 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.024 -0.100 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.644 -0.082 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.874 1.431 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.829 0.604 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.821 -0.745 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.499 0.924 -5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.533 2.207 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.036 0.372 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.846 2.479 -6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.162 2.732 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.730 0.701 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.097 1.729 -9.764 1.00 0.00 H new ATOM 743 N VAL A 53 -0.780 1.079 -4.254 1.00 0.00 N ATOM 744 CA VAL A 53 0.037 1.709 -3.224 1.00 0.00 C ATOM 745 C VAL A 53 -0.164 3.220 -3.212 1.00 0.00 C ATOM 746 O VAL A 53 -0.089 3.874 -4.250 1.00 0.00 O ATOM 747 CB VAL A 53 1.532 1.403 -3.429 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.367 2.064 -2.342 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.770 -0.099 -3.456 1.00 0.00 C ATOM 0 H VAL A 53 -0.481 1.277 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.283 1.295 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 53 1.840 1.814 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.421 1.836 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.220 3.143 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.060 1.686 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.832 -0.297 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.446 -0.536 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.203 -0.543 -4.274 1.00 0.00 H new ATOM 759 N GLU A 54 -0.420 3.768 -2.027 1.00 0.00 N ATOM 760 CA GLU A 54 -0.633 5.203 -1.879 1.00 0.00 C ATOM 761 C GLU A 54 0.311 5.787 -0.833 1.00 0.00 C ATOM 762 O GLU A 54 0.814 5.072 0.034 1.00 0.00 O ATOM 763 CB GLU A 54 -2.084 5.488 -1.490 1.00 0.00 C ATOM 764 CG GLU A 54 -3.086 5.133 -2.576 1.00 0.00 C ATOM 765 CD GLU A 54 -4.447 4.767 -2.017 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.923 5.471 -1.102 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.036 3.774 -2.494 1.00 0.00 O ATOM 0 H GLU A 54 -0.485 3.240 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.423 5.677 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.326 4.928 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.185 6.545 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.192 5.977 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.701 4.298 -3.161 1.00 0.00 H new ATOM 774 N TYR A 55 0.546 7.091 -0.920 1.00 0.00 N ATOM 775 CA TYR A 55 1.430 7.774 0.018 1.00 0.00 C ATOM 776 C TYR A 55 0.866 9.136 0.407 1.00 0.00 C ATOM 777 O TYR A 55 0.238 9.816 -0.404 1.00 0.00 O ATOM 778 CB TYR A 55 2.823 7.941 -0.593 1.00 0.00 C ATOM 779 CG TYR A 55 2.827 8.730 -1.883 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.725 10.116 -1.872 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.933 8.090 -3.111 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.728 10.840 -3.048 1.00 0.00 C ATOM 783 CE2 TYR A 55 2.939 8.807 -4.292 1.00 0.00 C ATOM 784 CZ TYR A 55 2.836 10.182 -4.255 1.00 0.00 C ATOM 785 OH TYR A 55 2.838 10.899 -5.430 1.00 0.00 O ATOM 0 H TYR A 55 0.137 7.697 -1.631 1.00 0.00 H new ATOM 0 HA TYR A 55 1.505 7.163 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.470 8.438 0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.250 6.955 -0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.642 10.635 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.012 7.013 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.646 11.917 -3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.024 8.294 -5.239 1.00 0.00 H new ATOM 0 HH TYR A 55 2.922 10.284 -6.188 1.00 0.00 H new ATOM 795 N LYS A 56 1.096 9.530 1.655 1.00 0.00 N ATOM 796 CA LYS A 56 0.613 10.812 2.154 1.00 0.00 C ATOM 797 C LYS A 56 1.773 11.679 2.634 1.00 0.00 C ATOM 798 O LYS A 56 2.661 11.210 3.345 1.00 0.00 O ATOM 799 CB LYS A 56 -0.382 10.595 3.297 1.00 0.00 C ATOM 800 CG LYS A 56 -0.703 11.861 4.072 1.00 0.00 C ATOM 801 CD LYS A 56 -1.878 11.657 5.012 1.00 0.00 C ATOM 802 CE LYS A 56 -1.437 11.034 6.328 1.00 0.00 C ATOM 803 NZ LYS A 56 -2.549 10.983 7.318 1.00 0.00 N ATOM 0 H LYS A 56 1.614 8.979 2.340 1.00 0.00 H new ATOM 0 HA LYS A 56 0.110 11.327 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.306 10.184 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.023 9.851 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.172 12.170 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.930 12.668 3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.361 12.615 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.620 11.016 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.066 10.025 6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.608 11.608 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.208 10.552 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.886 11.948 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.330 10.414 6.934 1.00 0.00 H new ATOM 817 N LYS A 57 1.756 12.949 2.241 1.00 0.00 N ATOM 818 CA LYS A 57 2.804 13.884 2.632 1.00 0.00 C ATOM 819 C LYS A 57 2.539 14.448 4.025 1.00 0.00 C ATOM 820 O LYS A 57 1.447 14.945 4.306 1.00 0.00 O ATOM 821 CB LYS A 57 2.901 15.027 1.618 1.00 0.00 C ATOM 822 CG LYS A 57 3.551 14.622 0.306 1.00 0.00 C ATOM 823 CD LYS A 57 3.139 15.545 -0.828 1.00 0.00 C ATOM 824 CE LYS A 57 3.212 14.840 -2.174 1.00 0.00 C ATOM 825 NZ LYS A 57 2.736 15.712 -3.283 1.00 0.00 N ATOM 0 H LYS A 57 1.028 13.354 1.652 1.00 0.00 H new ATOM 0 HA LYS A 57 3.750 13.342 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.900 15.408 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.470 15.845 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.635 14.640 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.272 13.597 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.123 15.902 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.787 16.421 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.240 14.534 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.610 13.932 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.801 15.195 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.747 15.984 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.327 16.567 -3.331 1.00 0.00 H new ATOM 839 N LEU A 58 3.542 14.369 4.891 1.00 0.00 N ATOM 840 CA LEU A 58 3.418 14.872 6.255 1.00 0.00 C ATOM 841 C LEU A 58 3.882 16.323 6.344 1.00 0.00 C ATOM 842 O LEU A 58 3.072 17.236 6.511 1.00 0.00 O ATOM 843 CB LEU A 58 4.232 14.005 7.217 1.00 0.00 C ATOM 844 CG LEU A 58 3.959 12.501 7.159 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.859 11.758 8.133 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.494 12.213 7.455 1.00 0.00 C ATOM 0 H LEU A 58 4.451 13.961 4.673 1.00 0.00 H new ATOM 0 HA LEU A 58 2.366 14.827 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.291 14.170 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.043 14.350 8.234 1.00 0.00 H new ATOM 0 HG LEU A 58 4.180 12.149 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.651 10.689 8.078 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.902 11.938 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.670 12.113 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.318 11.138 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.245 12.579 8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.868 12.715 6.717 1.00 0.00 H new ATOM 937 N TRP A 64 -3.990 11.742 0.393 1.00 0.00 N ATOM 938 CA TRP A 64 -3.258 10.567 -0.067 1.00 0.00 C ATOM 939 C TRP A 64 -3.126 10.568 -1.585 1.00 0.00 C ATOM 940 O TRP A 64 -4.066 10.920 -2.299 1.00 0.00 O ATOM 941 CB TRP A 64 -3.961 9.289 0.396 1.00 0.00 C ATOM 942 CG TRP A 64 -3.767 8.999 1.853 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.527 9.461 2.889 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.745 8.182 2.436 1.00 0.00 C ATOM 945 NE1 TRP A 64 -4.040 8.981 4.081 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.948 8.194 3.830 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.681 7.441 1.916 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.124 7.493 4.707 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.864 6.747 2.788 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.089 6.776 4.170 1.00 0.00 C ATOM 0 HA TRP A 64 -2.258 10.600 0.366 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.028 9.374 0.189 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.589 8.447 -0.187 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.385 10.109 2.787 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.429 9.179 5.003 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.500 7.411 0.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.296 7.514 5.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.038 6.172 2.397 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.433 6.222 4.825 1.00 0.00 H new ATOM 961 N ILE A 65 -1.955 10.172 -2.074 1.00 0.00 N ATOM 962 CA ILE A 65 -1.702 10.127 -3.508 1.00 0.00 C ATOM 963 C ILE A 65 -1.475 8.695 -3.981 1.00 0.00 C ATOM 964 O ILE A 65 -1.202 7.800 -3.180 1.00 0.00 O ATOM 965 CB ILE A 65 -0.480 10.982 -3.892 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.381 12.207 -2.980 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.567 11.406 -5.350 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.530 13.177 -3.144 1.00 0.00 C ATOM 0 H ILE A 65 -1.167 9.878 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.587 10.533 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 65 0.420 10.382 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.342 11.875 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.555 12.727 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.304 12.010 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.594 10.521 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.473 11.992 -5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.394 14.020 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.558 13.538 -4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.468 12.673 -2.911 1.00 0.00 H new ATOM 980 N LEU A 66 -1.588 8.485 -5.288 1.00 0.00 N ATOM 981 CA LEU A 66 -1.394 7.162 -5.870 1.00 0.00 C ATOM 982 C LEU A 66 0.011 7.023 -6.451 1.00 0.00 C ATOM 983 O LEU A 66 0.385 7.746 -7.374 1.00 0.00 O ATOM 984 CB LEU A 66 -2.436 6.903 -6.959 1.00 0.00 C ATOM 985 CG LEU A 66 -2.416 5.510 -7.590 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.420 4.436 -6.515 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.600 5.333 -8.529 1.00 0.00 C ATOM 0 H LEU A 66 -1.813 9.214 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.515 6.423 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.426 7.074 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.297 7.640 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.499 5.409 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.406 3.452 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.539 4.550 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.318 4.534 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.570 4.336 -8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.528 5.455 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.551 6.081 -9.321 1.00 0.00 H new ATOM 999 N ALA A 67 0.782 6.088 -5.906 1.00 0.00 N ATOM 1000 CA ALA A 67 2.142 5.852 -6.372 1.00 0.00 C ATOM 1001 C ALA A 67 2.153 4.939 -7.594 1.00 0.00 C ATOM 1002 O ALA A 67 2.478 5.370 -8.701 1.00 0.00 O ATOM 1003 CB ALA A 67 2.987 5.255 -5.256 1.00 0.00 C ATOM 0 H ALA A 67 0.487 5.481 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 67 2.571 6.811 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.001 5.084 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.015 5.944 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.551 4.308 -4.937 1.00 0.00 H new ATOM 1009 N THR A 68 1.796 3.676 -7.386 1.00 0.00 N ATOM 1010 CA THR A 68 1.766 2.702 -8.470 1.00 0.00 C ATOM 1011 C THR A 68 0.427 1.976 -8.520 1.00 0.00 C ATOM 1012 O THR A 68 -0.435 2.183 -7.665 1.00 0.00 O ATOM 1013 CB THR A 68 2.894 1.664 -8.323 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.040 0.924 -9.540 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.604 0.709 -7.175 1.00 0.00 C ATOM 0 H THR A 68 1.523 3.303 -6.476 1.00 0.00 H new ATOM 0 HA THR A 68 1.910 3.257 -9.397 1.00 0.00 H new ATOM 0 HB THR A 68 3.821 2.195 -8.108 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.760 0.267 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.414 -0.015 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.522 1.272 -6.245 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.668 0.185 -7.366 1.00 0.00 H new ATOM 1023 N SER A 69 0.257 1.124 -9.527 1.00 0.00 N ATOM 1024 CA SER A 69 -0.980 0.370 -9.689 1.00 0.00 C ATOM 1025 C SER A 69 -0.810 -0.733 -10.731 1.00 0.00 C ATOM 1026 O SER A 69 0.171 -0.754 -11.473 1.00 0.00 O ATOM 1027 CB SER A 69 -2.122 1.302 -10.098 1.00 0.00 C ATOM 1028 OG SER A 69 -1.861 1.907 -11.353 1.00 0.00 O ATOM 0 H SER A 69 0.960 0.939 -10.242 1.00 0.00 H new ATOM 0 HA SER A 69 -1.224 -0.091 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.054 0.740 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.256 2.073 -9.340 1.00 0.00 H new ATOM 0 HG SER A 69 -2.606 2.497 -11.593 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.775 -1.646 -10.779 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.735 -2.749 -11.731 1.00 0.00 C ATOM 1036 C ALA A 70 -0.709 -3.798 -11.312 1.00 0.00 C ATOM 1037 O ALA A 70 -0.176 -4.527 -12.149 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.423 -2.233 -13.127 1.00 0.00 C ATOM 0 H ALA A 70 -2.593 -1.643 -10.170 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.717 -3.221 -11.742 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.397 -3.069 -13.826 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.194 -1.527 -13.435 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.454 -1.733 -13.122 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.436 -3.866 -10.013 1.00 0.00 N ATOM 1045 CA ILE A 71 0.526 -4.826 -9.485 1.00 0.00 C ATOM 1046 C ILE A 71 -0.074 -6.226 -9.419 1.00 0.00 C ATOM 1047 O ILE A 71 -1.220 -6.420 -9.010 1.00 0.00 O ATOM 1048 CB ILE A 71 1.011 -4.421 -8.081 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.672 -3.042 -8.124 1.00 0.00 C ATOM 1050 CG2 ILE A 71 1.978 -5.462 -7.534 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.231 -2.598 -6.790 1.00 0.00 C ATOM 0 H ILE A 71 -0.867 -3.268 -9.308 1.00 0.00 H new ATOM 0 HA ILE A 71 1.376 -4.830 -10.168 1.00 0.00 H new ATOM 0 HB ILE A 71 0.149 -4.369 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.477 -3.056 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.942 -2.308 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.312 -5.162 -6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.476 -6.428 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.839 -5.543 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.684 -1.612 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.427 -2.551 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.985 -3.310 -6.456 1.00 0.00 H new ATOM 1063 N PRO A 72 0.717 -7.229 -9.828 1.00 0.00 N ATOM 1064 CA PRO A 72 0.286 -8.630 -9.822 1.00 0.00 C ATOM 1065 C PRO A 72 0.144 -9.187 -8.410 1.00 0.00 C ATOM 1066 O PRO A 72 0.750 -8.695 -7.458 1.00 0.00 O ATOM 1067 CB PRO A 72 1.410 -9.350 -10.570 1.00 0.00 C ATOM 1068 CG PRO A 72 2.608 -8.485 -10.379 1.00 0.00 C ATOM 1069 CD PRO A 72 2.093 -7.072 -10.326 1.00 0.00 C ATOM 0 HA PRO A 72 -0.696 -8.756 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.576 -10.350 -10.168 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.171 -9.467 -11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.134 -8.744 -9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.316 -8.612 -11.198 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.693 -6.450 -9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.113 -6.600 -11.308 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.676 -10.240 -8.267 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.914 -10.888 -6.975 1.00 0.00 C ATOM 1079 C PRO A 73 0.308 -11.648 -6.471 1.00 0.00 C ATOM 1080 O PRO A 73 0.413 -11.958 -5.284 1.00 0.00 O ATOM 1081 CB PRO A 73 -2.062 -11.857 -7.271 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.951 -12.142 -8.729 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.430 -10.880 -9.359 1.00 0.00 C ATOM 0 HA PRO A 73 -1.139 -10.164 -6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.972 -12.769 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.027 -11.414 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.276 -12.978 -8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.919 -12.416 -9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.792 -11.093 -10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.241 -10.244 -9.714 1.00 0.00 H new ATOM 1091 N SER A 74 1.231 -11.944 -7.381 1.00 0.00 N ATOM 1092 CA SER A 74 2.446 -12.669 -7.029 1.00 0.00 C ATOM 1093 C SER A 74 3.532 -11.711 -6.550 1.00 0.00 C ATOM 1094 O SER A 74 4.541 -12.133 -5.985 1.00 0.00 O ATOM 1095 CB SER A 74 2.951 -13.472 -8.230 1.00 0.00 C ATOM 1096 OG SER A 74 3.411 -12.614 -9.259 1.00 0.00 O ATOM 0 H SER A 74 1.160 -11.693 -8.367 1.00 0.00 H new ATOM 0 HA SER A 74 2.208 -13.355 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.758 -14.134 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.150 -14.105 -8.611 1.00 0.00 H new ATOM 0 HG SER A 74 3.730 -13.151 -10.014 1.00 0.00 H new ATOM 1102 N ARG A 75 3.317 -10.421 -6.780 1.00 0.00 N ATOM 1103 CA ARG A 75 4.277 -9.402 -6.374 1.00 0.00 C ATOM 1104 C ARG A 75 3.821 -8.704 -5.096 1.00 0.00 C ATOM 1105 O ARG A 75 2.985 -7.799 -5.135 1.00 0.00 O ATOM 1106 CB ARG A 75 4.466 -8.374 -7.490 1.00 0.00 C ATOM 1107 CG ARG A 75 5.482 -7.293 -7.158 1.00 0.00 C ATOM 1108 CD ARG A 75 6.123 -6.725 -8.415 1.00 0.00 C ATOM 1109 NE ARG A 75 7.443 -6.162 -8.149 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.510 -6.896 -7.854 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.412 -8.217 -7.786 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.678 -6.309 -7.624 1.00 0.00 N ATOM 0 H ARG A 75 2.486 -10.056 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 75 5.230 -9.894 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.780 -8.889 -8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.506 -7.905 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.994 -6.492 -6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.255 -7.705 -6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.209 -7.511 -9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.477 -5.953 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 75 7.552 -5.149 -8.192 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.516 -8.672 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.233 -8.778 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.757 -5.293 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.497 -6.874 -7.398 1.00 0.00 H new ATOM 1126 N LEU A 76 4.374 -9.128 -3.965 1.00 0.00 N ATOM 1127 CA LEU A 76 4.022 -8.544 -2.675 1.00 0.00 C ATOM 1128 C LEU A 76 5.034 -7.477 -2.268 1.00 0.00 C ATOM 1129 O LEU A 76 5.037 -7.014 -1.127 1.00 0.00 O ATOM 1130 CB LEU A 76 3.954 -9.632 -1.603 1.00 0.00 C ATOM 1131 CG LEU A 76 3.071 -10.839 -1.926 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.063 -11.821 -0.766 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.656 -10.391 -2.258 1.00 0.00 C ATOM 0 H LEU A 76 5.068 -9.874 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 76 3.043 -8.074 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.966 -9.989 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.594 -9.181 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 76 3.485 -11.344 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.430 -12.673 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.079 -12.168 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.675 -11.328 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.042 -11.263 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.232 -9.861 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.678 -9.727 -3.123 1.00 0.00 H new ATOM 1145 N SER A 77 5.888 -7.089 -3.210 1.00 0.00 N ATOM 1146 CA SER A 77 6.905 -6.077 -2.948 1.00 0.00 C ATOM 1147 C SER A 77 7.291 -5.350 -4.233 1.00 0.00 C ATOM 1148 O SER A 77 7.559 -5.977 -5.258 1.00 0.00 O ATOM 1149 CB SER A 77 8.144 -6.718 -2.319 1.00 0.00 C ATOM 1150 OG SER A 77 9.298 -5.928 -2.547 1.00 0.00 O ATOM 0 H SER A 77 5.896 -7.460 -4.160 1.00 0.00 H new ATOM 0 HA SER A 77 6.488 -5.350 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.989 -6.841 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.293 -7.714 -2.736 1.00 0.00 H new ATOM 0 HG SER A 77 9.642 -5.597 -1.691 1.00 0.00 H new ATOM 1156 N VAL A 78 7.317 -4.022 -4.170 1.00 0.00 N ATOM 1157 CA VAL A 78 7.671 -3.210 -5.327 1.00 0.00 C ATOM 1158 C VAL A 78 8.427 -1.954 -4.906 1.00 0.00 C ATOM 1159 O VAL A 78 8.415 -1.575 -3.736 1.00 0.00 O ATOM 1160 CB VAL A 78 6.422 -2.798 -6.128 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.445 -3.960 -6.226 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.758 -1.585 -5.494 1.00 0.00 C ATOM 0 H VAL A 78 7.097 -3.487 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 78 8.313 -3.824 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 78 6.732 -2.527 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.568 -3.651 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.927 -4.799 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.139 -4.264 -5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.877 -1.308 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.460 -1.825 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.460 -0.751 -5.480 1.00 0.00 H new ATOM 1172 N GLU A 79 9.083 -1.314 -5.868 1.00 0.00 N ATOM 1173 CA GLU A 79 9.845 -0.100 -5.597 1.00 0.00 C ATOM 1174 C GLU A 79 9.057 1.140 -6.008 1.00 0.00 C ATOM 1175 O GLU A 79 8.875 1.407 -7.196 1.00 0.00 O ATOM 1176 CB GLU A 79 11.185 -0.136 -6.335 1.00 0.00 C ATOM 1177 CG GLU A 79 12.158 0.939 -5.882 1.00 0.00 C ATOM 1178 CD GLU A 79 13.504 0.837 -6.575 1.00 0.00 C ATOM 1179 OE1 GLU A 79 14.381 0.112 -6.061 1.00 0.00 O ATOM 1180 OE2 GLU A 79 13.677 1.481 -7.631 1.00 0.00 O ATOM 0 H GLU A 79 9.103 -1.615 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 79 10.032 -0.051 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.644 -1.114 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.005 -0.024 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.726 1.921 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.302 0.863 -4.804 1.00 0.00 H new ATOM 1187 N ILE A 80 8.592 1.894 -5.017 1.00 0.00 N ATOM 1188 CA ILE A 80 7.826 3.107 -5.277 1.00 0.00 C ATOM 1189 C ILE A 80 8.733 4.245 -5.729 1.00 0.00 C ATOM 1190 O ILE A 80 9.482 4.812 -4.932 1.00 0.00 O ATOM 1191 CB ILE A 80 7.042 3.554 -4.028 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.133 2.426 -3.537 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.229 4.803 -4.333 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.978 2.133 -4.469 1.00 0.00 C ATOM 0 H ILE A 80 8.732 1.687 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 80 7.121 2.871 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 80 7.753 3.791 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.727 1.521 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.740 2.688 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.681 5.107 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.898 5.607 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.525 4.591 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.376 1.323 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.361 3.025 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.364 1.839 -5.445 1.00 0.00 H new ATOM 1206 N THR A 81 8.660 4.578 -7.014 1.00 0.00 N ATOM 1207 CA THR A 81 9.473 5.650 -7.574 1.00 0.00 C ATOM 1208 C THR A 81 8.650 6.916 -7.777 1.00 0.00 C ATOM 1209 O THR A 81 7.421 6.884 -7.732 1.00 0.00 O ATOM 1210 CB THR A 81 10.100 5.236 -8.918 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.071 5.000 -9.886 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.949 3.984 -8.758 1.00 0.00 C ATOM 0 H THR A 81 8.045 4.120 -7.687 1.00 0.00 H new ATOM 0 HA THR A 81 10.269 5.850 -6.857 1.00 0.00 H new ATOM 0 HB THR A 81 10.741 6.048 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.478 4.739 -10.739 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.381 3.712 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.749 4.176 -8.043 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.326 3.166 -8.395 1.00 0.00 H new ATOM 1220 N GLY A 82 9.336 8.033 -8.003 1.00 0.00 N ATOM 1221 CA GLY A 82 8.650 9.295 -8.212 1.00 0.00 C ATOM 1222 C GLY A 82 8.305 9.989 -6.910 1.00 0.00 C ATOM 1223 O GLY A 82 7.216 10.544 -6.763 1.00 0.00 O ATOM 0 H GLY A 82 10.354 8.086 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.278 9.951 -8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.736 9.119 -8.780 1.00 0.00 H new ATOM 1227 N LEU A 83 9.234 9.957 -5.960 1.00 0.00 N ATOM 1228 CA LEU A 83 9.021 10.587 -4.661 1.00 0.00 C ATOM 1229 C LEU A 83 9.693 11.955 -4.603 1.00 0.00 C ATOM 1230 O LEU A 83 10.297 12.402 -5.579 1.00 0.00 O ATOM 1231 CB LEU A 83 9.563 9.693 -3.544 1.00 0.00 C ATOM 1232 CG LEU A 83 8.953 8.295 -3.449 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.627 7.492 -2.346 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.454 8.381 -3.208 1.00 0.00 C ATOM 0 H LEU A 83 10.141 9.502 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 83 7.948 10.723 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.640 9.590 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.408 10.201 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 83 9.119 7.783 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.180 6.499 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.691 7.399 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.494 8.001 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.038 7.376 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.265 8.913 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.983 8.916 -4.032 1.00 0.00 H new ATOM 1246 N GLU A 84 9.584 12.615 -3.454 1.00 0.00 N ATOM 1247 CA GLU A 84 10.182 13.931 -3.270 1.00 0.00 C ATOM 1248 C GLU A 84 11.104 13.945 -2.053 1.00 0.00 C ATOM 1249 O GLU A 84 10.681 13.646 -0.936 1.00 0.00 O ATOM 1250 CB GLU A 84 9.093 14.994 -3.110 1.00 0.00 C ATOM 1251 CG GLU A 84 8.459 15.417 -4.425 1.00 0.00 C ATOM 1252 CD GLU A 84 7.278 16.348 -4.230 1.00 0.00 C ATOM 1253 OE1 GLU A 84 6.445 16.070 -3.341 1.00 0.00 O ATOM 1254 OE2 GLU A 84 7.186 17.353 -4.965 1.00 0.00 O ATOM 0 H GLU A 84 9.087 12.259 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 84 10.774 14.159 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.316 14.610 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.521 15.871 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.208 15.911 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.132 14.530 -4.968 1.00 0.00 H new ATOM 1261 N LYS A 85 12.366 14.294 -2.277 1.00 0.00 N ATOM 1262 CA LYS A 85 13.348 14.348 -1.202 1.00 0.00 C ATOM 1263 C LYS A 85 12.974 15.413 -0.176 1.00 0.00 C ATOM 1264 O LYS A 85 12.186 16.313 -0.461 1.00 0.00 O ATOM 1265 CB LYS A 85 14.740 14.638 -1.769 1.00 0.00 C ATOM 1266 CG LYS A 85 15.524 13.386 -2.127 1.00 0.00 C ATOM 1267 CD LYS A 85 16.554 13.665 -3.208 1.00 0.00 C ATOM 1268 CE LYS A 85 15.918 13.704 -4.589 1.00 0.00 C ATOM 1269 NZ LYS A 85 15.442 15.069 -4.942 1.00 0.00 N ATOM 0 H LYS A 85 12.733 14.544 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 85 13.359 13.378 -0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.639 15.260 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.307 15.216 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.023 13.001 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.838 12.611 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.046 14.617 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.326 12.896 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.642 13.369 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.080 13.007 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.650 15.261 -5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.416 15.130 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.927 15.770 -4.346 1.00 0.00 H new ATOM 1283 N GLY A 86 13.546 15.304 1.019 1.00 0.00 N ATOM 1284 CA GLY A 86 13.261 16.265 2.068 1.00 0.00 C ATOM 1285 C GLY A 86 11.784 16.340 2.400 1.00 0.00 C ATOM 1286 O GLY A 86 11.344 17.252 3.101 1.00 0.00 O ATOM 0 H GLY A 86 14.202 14.567 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.819 15.995 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.611 17.250 1.759 1.00 0.00 H new ATOM 1290 N ILE A 87 11.016 15.381 1.894 1.00 0.00 N ATOM 1291 CA ILE A 87 9.581 15.341 2.141 1.00 0.00 C ATOM 1292 C ILE A 87 9.170 14.028 2.798 1.00 0.00 C ATOM 1293 O ILE A 87 9.171 12.976 2.158 1.00 0.00 O ATOM 1294 CB ILE A 87 8.780 15.523 0.837 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.012 16.922 0.261 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.299 15.286 1.088 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.393 18.026 1.091 1.00 0.00 C ATOM 0 H ILE A 87 11.365 14.621 1.310 1.00 0.00 H new ATOM 0 HA ILE A 87 9.355 16.167 2.816 1.00 0.00 H new ATOM 0 HB ILE A 87 9.127 14.789 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.084 17.099 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.602 16.963 -0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.747 15.418 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.150 14.271 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.937 15.998 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.596 18.990 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.316 17.873 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.821 18.011 2.094 1.00 0.00 H new ATOM 1309 N SER A 88 8.819 14.097 4.078 1.00 0.00 N ATOM 1310 CA SER A 88 8.409 12.912 4.822 1.00 0.00 C ATOM 1311 C SER A 88 7.006 12.473 4.414 1.00 0.00 C ATOM 1312 O SER A 88 6.103 13.298 4.266 1.00 0.00 O ATOM 1313 CB SER A 88 8.451 13.189 6.327 1.00 0.00 C ATOM 1314 OG SER A 88 9.414 14.182 6.634 1.00 0.00 O ATOM 0 H SER A 88 8.810 14.960 4.621 1.00 0.00 H new ATOM 0 HA SER A 88 9.106 12.107 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.468 13.513 6.668 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.688 12.270 6.863 1.00 0.00 H new ATOM 0 HG SER A 88 9.421 14.343 7.601 1.00 0.00 H new ATOM 1320 N TYR A 89 6.829 11.169 4.233 1.00 0.00 N ATOM 1321 CA TYR A 89 5.537 10.620 3.839 1.00 0.00 C ATOM 1322 C TYR A 89 5.431 9.147 4.225 1.00 0.00 C ATOM 1323 O TYR A 89 6.422 8.517 4.597 1.00 0.00 O ATOM 1324 CB TYR A 89 5.329 10.780 2.332 1.00 0.00 C ATOM 1325 CG TYR A 89 6.619 10.830 1.544 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.592 9.852 1.706 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.864 11.855 0.640 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.772 9.893 0.990 1.00 0.00 C ATOM 1329 CE2 TYR A 89 8.041 11.904 -0.083 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.992 10.920 0.096 1.00 0.00 C ATOM 1331 OH TYR A 89 10.165 10.966 -0.621 1.00 0.00 O ATOM 0 H TYR A 89 7.564 10.472 4.353 1.00 0.00 H new ATOM 0 HA TYR A 89 4.760 11.173 4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.722 9.951 1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.764 11.694 2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.423 9.046 2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.122 12.627 0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.519 9.125 1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.215 12.707 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 89 10.434 11.900 -0.749 1.00 0.00 H new ATOM 1341 N LYS A 90 4.222 8.604 4.131 1.00 0.00 N ATOM 1342 CA LYS A 90 3.984 7.205 4.467 1.00 0.00 C ATOM 1343 C LYS A 90 3.580 6.410 3.231 1.00 0.00 C ATOM 1344 O LYS A 90 3.568 6.937 2.118 1.00 0.00 O ATOM 1345 CB LYS A 90 2.894 7.095 5.537 1.00 0.00 C ATOM 1346 CG LYS A 90 3.075 8.065 6.692 1.00 0.00 C ATOM 1347 CD LYS A 90 2.243 7.659 7.896 1.00 0.00 C ATOM 1348 CE LYS A 90 2.859 8.158 9.193 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.935 7.988 10.349 1.00 0.00 N ATOM 0 H LYS A 90 3.392 9.111 3.825 1.00 0.00 H new ATOM 0 HA LYS A 90 4.912 6.788 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.923 7.272 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.881 6.077 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.127 8.106 6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.791 9.068 6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.234 8.059 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.154 6.573 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.785 7.617 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.120 9.211 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.393 8.340 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.061 8.525 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.705 6.980 10.465 1.00 0.00 H new ATOM 1363 N PHE A 91 3.246 5.139 3.433 1.00 0.00 N ATOM 1364 CA PHE A 91 2.841 4.272 2.333 1.00 0.00 C ATOM 1365 C PHE A 91 1.746 3.307 2.778 1.00 0.00 C ATOM 1366 O PHE A 91 1.587 3.038 3.968 1.00 0.00 O ATOM 1367 CB PHE A 91 4.043 3.487 1.804 1.00 0.00 C ATOM 1368 CG PHE A 91 5.135 4.361 1.256 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.053 4.960 2.104 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.245 4.583 -0.107 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.058 5.765 1.602 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.248 5.387 -0.615 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.156 5.978 0.241 1.00 0.00 C ATOM 0 H PHE A 91 3.248 4.687 4.348 1.00 0.00 H new ATOM 0 HA PHE A 91 2.447 4.900 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.449 2.873 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.707 2.806 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.982 4.796 3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.538 4.122 -0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.766 6.227 2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.321 5.553 -1.680 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.942 6.606 -0.153 1.00 0.00 H new ATOM 1383 N ARG A 92 0.993 2.790 1.812 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.088 1.856 2.103 1.00 0.00 C ATOM 1385 C ARG A 92 -0.302 0.892 0.940 1.00 0.00 C ATOM 1386 O ARG A 92 0.330 1.018 -0.109 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.383 2.618 2.392 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.915 3.391 1.197 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.418 3.602 1.293 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.767 4.611 2.288 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.900 5.306 2.266 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.788 5.099 1.304 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.146 6.208 3.207 1.00 0.00 N ATOM 0 H ARG A 92 1.112 3.002 0.821 1.00 0.00 H new ATOM 0 HA ARG A 92 0.191 1.278 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.144 1.912 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.210 3.312 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.414 4.357 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.680 2.851 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.804 3.904 0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.901 2.659 1.549 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.105 4.793 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.602 4.406 0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.657 5.633 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.465 6.369 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.016 6.740 3.188 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.198 -0.071 1.134 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.494 -1.057 0.102 1.00 0.00 C ATOM 1409 C VAL A 93 -2.977 -1.416 0.095 1.00 0.00 C ATOM 1410 O VAL A 93 -3.579 -1.631 1.147 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.667 -2.342 0.297 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.028 -3.375 -0.759 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.821 -2.028 0.261 1.00 0.00 C ATOM 0 H VAL A 93 -1.731 -0.189 1.996 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.227 -0.605 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.903 -2.760 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.434 -4.276 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.087 -3.621 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.822 -2.970 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.390 -2.947 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.076 -1.585 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.064 -1.326 1.059 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.559 -1.479 -1.098 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.971 -1.811 -1.242 1.00 0.00 C ATOM 1425 C ARG A 94 -5.161 -2.975 -2.210 1.00 0.00 C ATOM 1426 O ARG A 94 -4.434 -3.100 -3.195 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.756 -0.593 -1.732 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.162 0.358 -0.618 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.418 1.136 -0.981 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.800 2.078 0.069 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.652 3.079 -0.118 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.208 3.269 -1.307 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -8.950 3.894 0.887 1.00 0.00 N ATOM 0 H ARG A 94 -3.075 -1.305 -1.979 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.349 -2.109 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.152 -0.050 -2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.651 -0.933 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.334 -0.206 0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.347 1.053 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.252 1.678 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.237 0.440 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.390 1.960 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.982 2.645 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.862 4.039 -1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.524 3.751 1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.605 4.663 0.743 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.140 -3.825 -1.922 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.426 -4.977 -2.768 1.00 0.00 C ATOM 1449 C ALA A 95 -7.682 -4.749 -3.602 1.00 0.00 C ATOM 1450 O ALA A 95 -8.729 -4.369 -3.074 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.574 -6.231 -1.919 1.00 0.00 C ATOM 0 H ALA A 95 -6.749 -3.738 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.588 -5.111 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.787 -7.084 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.648 -6.412 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.392 -6.097 -1.212 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.573 -4.982 -4.905 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.701 -4.801 -5.812 1.00 0.00 C ATOM 1459 C LEU A 96 -8.994 -6.087 -6.578 1.00 0.00 C ATOM 1460 O LEU A 96 -8.162 -6.568 -7.346 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.413 -3.663 -6.794 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.708 -2.250 -6.287 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.622 -1.792 -5.326 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.834 -1.282 -7.454 1.00 0.00 C ATOM 0 H LEU A 96 -6.715 -5.297 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.578 -4.546 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.362 -3.713 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.998 -3.833 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.656 -2.266 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.848 -0.785 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.579 -2.472 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.660 -1.791 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.044 -0.281 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.901 -1.269 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.647 -1.602 -8.106 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.185 -6.637 -6.365 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.590 -7.866 -7.038 1.00 0.00 C ATOM 1478 C ASN A 97 -11.838 -7.638 -7.884 1.00 0.00 C ATOM 1479 O ASN A 97 -12.292 -6.506 -8.045 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.852 -8.972 -6.012 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.148 -8.761 -5.253 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.738 -7.681 -5.299 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.596 -9.794 -4.550 1.00 0.00 N ATOM 0 H ASN A 97 -10.886 -6.252 -5.732 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.778 -8.174 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.885 -9.935 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.023 -9.012 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.463 -9.712 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.074 -10.670 -4.541 1.00 0.00 H new ATOM 1490 N MET A 98 -12.388 -8.722 -8.423 1.00 0.00 N ATOM 1491 CA MET A 98 -13.585 -8.639 -9.253 1.00 0.00 C ATOM 1492 C MET A 98 -14.802 -8.265 -8.413 1.00 0.00 C ATOM 1493 O MET A 98 -15.918 -8.171 -8.927 1.00 0.00 O ATOM 1494 CB MET A 98 -13.831 -9.971 -9.964 1.00 0.00 C ATOM 1495 CG MET A 98 -13.940 -11.155 -9.016 1.00 0.00 C ATOM 1496 SD MET A 98 -14.084 -12.728 -9.886 1.00 0.00 S ATOM 1497 CE MET A 98 -15.863 -12.917 -9.954 1.00 0.00 C ATOM 0 H MET A 98 -12.024 -9.667 -8.300 1.00 0.00 H new ATOM 0 HA MET A 98 -13.427 -7.861 -10.000 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.749 -9.898 -10.548 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.019 -10.153 -10.668 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.063 -11.180 -8.370 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.808 -11.020 -8.370 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.119 -13.975 -9.896 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.317 -12.387 -9.117 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.237 -12.504 -10.891 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.582 -8.053 -7.120 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.662 -7.689 -6.210 1.00 0.00 C ATOM 1509 C LEU A 99 -15.539 -6.231 -5.774 1.00 0.00 C ATOM 1510 O LEU A 99 -16.531 -5.589 -5.436 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.651 -8.602 -4.983 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.691 -10.105 -5.265 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.866 -10.886 -3.972 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.811 -10.433 -6.243 1.00 0.00 C ATOM 0 H LEU A 99 -13.666 -8.127 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.607 -7.813 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.755 -8.385 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.506 -8.347 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.743 -10.397 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.892 -11.953 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -15.032 -10.674 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.799 -10.591 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.826 -11.506 -6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.767 -10.127 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.644 -9.901 -7.180 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.314 -5.717 -5.787 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.083 -4.339 -5.393 1.00 0.00 C ATOM 1528 C GLY A 100 -12.706 -4.129 -4.794 1.00 0.00 C ATOM 1529 O GLY A 100 -11.818 -4.964 -4.959 1.00 0.00 O ATOM 0 H GLY A 100 -13.477 -6.230 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.200 -3.692 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.840 -4.040 -4.668 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.530 -3.011 -4.098 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.250 -2.693 -3.476 1.00 0.00 C ATOM 1535 C GLU A 101 -11.307 -2.921 -1.968 1.00 0.00 C ATOM 1536 O GLU A 101 -12.385 -2.927 -1.371 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.860 -1.243 -3.769 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.669 -0.224 -2.985 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.661 1.148 -3.630 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.014 1.246 -4.823 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -11.301 2.125 -2.939 1.00 0.00 O ATOM 0 H GLU A 101 -13.257 -2.311 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.495 -3.356 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.803 -1.107 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.984 -1.051 -4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.698 -0.573 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.269 -0.148 -1.974 1.00 0.00 H new ATOM 1548 N SER A 102 -10.141 -3.107 -1.358 1.00 0.00 N ATOM 1549 CA SER A 102 -10.058 -3.340 0.079 1.00 0.00 C ATOM 1550 C SER A 102 -9.786 -2.037 0.825 1.00 0.00 C ATOM 1551 O SER A 102 -9.577 -0.991 0.211 1.00 0.00 O ATOM 1552 CB SER A 102 -8.959 -4.358 0.390 1.00 0.00 C ATOM 1553 OG SER A 102 -7.694 -3.727 0.496 1.00 0.00 O ATOM 0 H SER A 102 -9.240 -3.101 -1.837 1.00 0.00 H new ATOM 0 HA SER A 102 -11.016 -3.738 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.190 -4.874 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.927 -5.114 -0.394 1.00 0.00 H new ATOM 0 HG SER A 102 -6.987 -4.405 0.473 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.791 -2.110 2.153 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.545 -0.936 2.982 1.00 0.00 C ATOM 1561 C GLU A 103 -8.084 -0.504 2.896 1.00 0.00 C ATOM 1562 O GLU A 103 -7.197 -1.292 2.567 1.00 0.00 O ATOM 1563 CB GLU A 103 -9.918 -1.226 4.438 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.370 -0.927 4.766 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.796 -1.499 6.104 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.252 -2.551 6.499 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.675 -0.896 6.755 1.00 0.00 O ATOM 0 H GLU A 103 -9.962 -2.968 2.677 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.168 -0.123 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.714 -2.275 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.277 -0.635 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.522 0.152 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.007 -1.335 3.981 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.828 0.777 3.197 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.476 1.344 3.161 1.00 0.00 C ATOM 1576 C PRO A 104 -5.591 0.801 4.278 1.00 0.00 C ATOM 1577 O PRO A 104 -5.736 1.183 5.439 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.716 2.843 3.349 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.012 2.933 4.078 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.837 1.771 3.597 1.00 0.00 C ATOM 0 HA PRO A 104 -5.953 1.095 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.909 3.304 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.765 3.359 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.858 2.883 5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.512 3.879 3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.488 1.388 4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.477 2.052 2.761 1.00 0.00 H new ATOM 1588 N SER A 105 -4.672 -0.089 3.919 1.00 0.00 N ATOM 1589 CA SER A 105 -3.765 -0.686 4.891 1.00 0.00 C ATOM 1590 C SER A 105 -3.181 0.379 5.815 1.00 0.00 C ATOM 1591 O SER A 105 -3.023 1.535 5.425 1.00 0.00 O ATOM 1592 CB SER A 105 -2.636 -1.432 4.177 1.00 0.00 C ATOM 1593 OG SER A 105 -1.626 -0.535 3.744 1.00 0.00 O ATOM 0 H SER A 105 -4.536 -0.413 2.961 1.00 0.00 H new ATOM 0 HA SER A 105 -4.334 -1.394 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.204 -2.174 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.038 -1.973 3.320 1.00 0.00 H new ATOM 0 HG SER A 105 -0.954 -0.433 4.450 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.865 -0.021 7.043 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.298 0.897 8.022 1.00 0.00 C ATOM 1601 C ALA A 106 -1.216 1.769 7.396 1.00 0.00 C ATOM 1602 O ALA A 106 -0.424 1.318 6.566 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.737 0.124 9.207 1.00 0.00 C ATOM 0 H ALA A 106 -2.992 -0.974 7.383 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.095 1.552 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.317 0.822 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.535 -0.450 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.957 -0.555 8.862 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.178 3.048 7.799 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.196 4.010 7.289 1.00 0.00 C ATOM 1611 C PRO A 107 1.217 3.711 7.778 1.00 0.00 C ATOM 1612 O PRO A 107 1.591 4.085 8.889 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.684 5.347 7.850 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.454 4.986 9.073 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.089 3.653 8.784 1.00 0.00 C ATOM 0 HA PRO A 107 -0.131 3.987 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.152 6.005 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.309 5.874 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.800 4.926 9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.210 5.739 9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.170 3.043 9.684 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.096 3.766 8.383 1.00 0.00 H new ATOM 1623 N SER A 108 1.998 3.035 6.941 1.00 0.00 N ATOM 1624 CA SER A 108 3.369 2.683 7.290 1.00 0.00 C ATOM 1625 C SER A 108 4.081 3.861 7.949 1.00 0.00 C ATOM 1626 O SER A 108 3.726 5.018 7.727 1.00 0.00 O ATOM 1627 CB SER A 108 4.138 2.242 6.043 1.00 0.00 C ATOM 1628 OG SER A 108 5.529 2.470 6.194 1.00 0.00 O ATOM 0 H SER A 108 1.704 2.720 6.016 1.00 0.00 H new ATOM 0 HA SER A 108 3.336 1.856 8.000 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.958 1.183 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.769 2.786 5.173 1.00 0.00 H new ATOM 0 HG SER A 108 5.994 1.612 6.280 1.00 0.00 H new ATOM 1634 N ARG A 109 5.087 3.556 8.762 1.00 0.00 N ATOM 1635 CA ARG A 109 5.849 4.587 9.456 1.00 0.00 C ATOM 1636 C ARG A 109 6.338 5.651 8.478 1.00 0.00 C ATOM 1637 O ARG A 109 6.524 5.397 7.288 1.00 0.00 O ATOM 1638 CB ARG A 109 7.039 3.966 10.189 1.00 0.00 C ATOM 1639 CG ARG A 109 6.639 3.047 11.331 1.00 0.00 C ATOM 1640 CD ARG A 109 7.753 2.072 11.679 1.00 0.00 C ATOM 1641 NE ARG A 109 8.839 2.721 12.409 1.00 0.00 N ATOM 1642 CZ ARG A 109 9.945 2.093 12.792 1.00 0.00 C ATOM 1643 NH1 ARG A 109 10.111 0.806 12.515 1.00 0.00 N ATOM 1644 NH2 ARG A 109 10.889 2.751 13.452 1.00 0.00 N ATOM 0 H ARG A 109 5.393 2.603 8.956 1.00 0.00 H new ATOM 0 HA ARG A 109 5.191 5.062 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.641 3.404 9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.670 4.764 10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.389 3.643 12.208 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.742 2.493 11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.348 1.258 12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.145 1.628 10.764 1.00 0.00 H new ATOM 0 HE ARG A 109 8.743 3.710 12.637 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.388 0.296 12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.961 0.326 12.810 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.766 3.741 13.666 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.738 2.267 13.745 1.00 0.00 H new ATOM 1658 N PRO A 110 6.552 6.873 8.990 1.00 0.00 N ATOM 1659 CA PRO A 110 7.022 8.000 8.180 1.00 0.00 C ATOM 1660 C PRO A 110 8.470 7.827 7.732 1.00 0.00 C ATOM 1661 O PRO A 110 9.372 7.683 8.557 1.00 0.00 O ATOM 1662 CB PRO A 110 6.895 9.195 9.127 1.00 0.00 C ATOM 1663 CG PRO A 110 6.984 8.608 10.493 1.00 0.00 C ATOM 1664 CD PRO A 110 6.351 7.247 10.400 1.00 0.00 C ATOM 0 HA PRO A 110 6.450 8.107 7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.689 9.922 8.956 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.949 9.717 8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.021 8.535 10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.464 9.231 11.220 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.826 6.536 11.076 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.293 7.277 10.661 1.00 0.00 H new ATOM 1672 N TYR A 111 8.684 7.843 6.421 1.00 0.00 N ATOM 1673 CA TYR A 111 10.023 7.686 5.863 1.00 0.00 C ATOM 1674 C TYR A 111 10.486 8.974 5.189 1.00 0.00 C ATOM 1675 O TYR A 111 9.856 9.457 4.248 1.00 0.00 O ATOM 1676 CB TYR A 111 10.047 6.533 4.858 1.00 0.00 C ATOM 1677 CG TYR A 111 11.438 6.173 4.385 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.018 6.830 3.308 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.169 5.175 5.016 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.288 6.503 2.872 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.441 4.842 4.587 1.00 0.00 C ATOM 1682 CZ TYR A 111 13.995 5.509 3.515 1.00 0.00 C ATOM 1683 OH TYR A 111 15.260 5.180 3.084 1.00 0.00 O ATOM 0 H TYR A 111 7.948 7.963 5.725 1.00 0.00 H new ATOM 0 HA TYR A 111 10.707 7.460 6.681 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.588 5.655 5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.437 6.801 3.996 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.467 7.610 2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.737 4.650 5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.724 7.023 2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.997 4.064 5.089 1.00 0.00 H new ATOM 0 HH TYR A 111 15.620 4.462 3.645 1.00 0.00 H new ATOM 1693 N VAL A 112 11.593 9.525 5.678 1.00 0.00 N ATOM 1694 CA VAL A 112 12.144 10.755 5.122 1.00 0.00 C ATOM 1695 C VAL A 112 13.211 10.457 4.075 1.00 0.00 C ATOM 1696 O VAL A 112 14.332 10.073 4.408 1.00 0.00 O ATOM 1697 CB VAL A 112 12.754 11.643 6.222 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.282 12.941 5.630 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.729 11.923 7.311 1.00 0.00 C ATOM 0 H VAL A 112 12.125 9.139 6.458 1.00 0.00 H new ATOM 0 HA VAL A 112 11.317 11.287 4.651 1.00 0.00 H new ATOM 0 HB VAL A 112 13.591 11.109 6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.709 13.555 6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.051 12.717 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.465 13.482 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.178 12.552 8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.870 12.436 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.404 10.982 7.756 1.00 0.00 H new ATOM 1709 N VAL A 113 12.855 10.635 2.807 1.00 0.00 N ATOM 1710 CA VAL A 113 13.782 10.386 1.710 1.00 0.00 C ATOM 1711 C VAL A 113 14.837 11.483 1.623 1.00 0.00 C ATOM 1712 O VAL A 113 14.551 12.601 1.196 1.00 0.00 O ATOM 1713 CB VAL A 113 13.044 10.291 0.361 1.00 0.00 C ATOM 1714 CG1 VAL A 113 14.016 10.472 -0.794 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.309 8.964 0.248 1.00 0.00 C ATOM 0 H VAL A 113 11.930 10.951 2.514 1.00 0.00 H new ATOM 0 HA VAL A 113 14.268 9.433 1.917 1.00 0.00 H new ATOM 0 HB VAL A 113 12.307 11.093 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.476 10.402 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.491 11.450 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.778 9.694 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.793 8.914 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.024 8.145 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.582 8.881 1.056 1.00 0.00 H new ATOM 1725 N SER A 114 16.059 11.154 2.031 1.00 0.00 N ATOM 1726 CA SER A 114 17.158 12.113 2.003 1.00 0.00 C ATOM 1727 C SER A 114 18.096 11.829 0.833 1.00 0.00 C ATOM 1728 O SER A 114 18.504 12.741 0.115 1.00 0.00 O ATOM 1729 CB SER A 114 17.936 12.068 3.320 1.00 0.00 C ATOM 1730 OG SER A 114 18.750 13.217 3.470 1.00 0.00 O ATOM 0 H SER A 114 16.313 10.232 2.385 1.00 0.00 H new ATOM 0 HA SER A 114 16.736 13.110 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.239 12.000 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.557 11.172 3.349 1.00 0.00 H new ATOM 0 HG SER A 114 19.236 13.165 4.320 1.00 0.00 H new